(19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

C24H24N2O5 — CID 142109262

IUPAC(19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
SMILESCCc1c2c(nc3ccc(O)c(C)c13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC
InChIInChI=1S/C24H24N2O5/c1-5-13-14-10-26-18(21(14)25-17-7-8-19(27)12(3)20(13)17)9-16-15(22(26)28)11-31-23(29)24(16,6-2)30-4/h7-9,27H,5-6,10-11H2,1-4H3/t24-/m0/s1
InChIKeyZTDAFQNVZYUCQD-DEOSSOPVSA-N
MW420.47 g/mol
LogP3.31
Rot. Bonds3

About (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

(19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione (PubChem CID 142109262) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.

Molecular Properties

Compound Name(19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
PubChem CID142109262
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name(19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
SMILESCCc1c2c(nc3ccc(O)c(C)c13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC
InChIInChI=1S/C24H24N2O5/c1-5-13-14-10-26-18(21(14)25-17-7-8-19(27)12(3)20(13)17)9-16-15(22(26)28)11-31-23(29)24(16,6-2)30-4/h7-9,27H,5-6,10-11H2,1-4H3/t24-/m0/s1
InChIKeyZTDAFQNVZYUCQD-DEOSSOPVSA-N
XLogP3.31
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione with MolForge

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Related Compounds

19-ethyl-7-hydroxy-19-methoxy-8-(2-methylpropyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 143661438
CID 58291588
CID 58291588
[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] hydrogen carbonate
CID 126663211
(19S)-10,19-diethyl-7,19-dihydroxy-8-(pyrrolidin-1-ylmethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 74222335
(10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl) carbonochloridate
CID 90191282
[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbamate
CID 139468397
(19S)-10,19-diethyl-7-methoxy-19-sulfanyloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 59882187
N-[[(19S)-10,19-diethyl-7,19-dihydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-8-yl]methyl]acetamide
CID 54761283
CID 58332818
CID 58332818
2-[(8-but-3-ynyl-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl)oxycarbonyl-methylamino]ethyl-methylcarbamic acid
CID 126615991
[(19R)-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate
CID 167261096
(19S)-19-ethyl-19-hydroxy-7,8,10-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 54005453

Frequently Asked Questions

What is the IUPAC name of (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
The IUPAC name of (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione (CID 142109262) is (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.
What is the SMILES notation for (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
The canonical SMILES for (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione is CCc1c2c(nc3ccc(O)c(C)c13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC.
What is the InChIKey of (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
The InChIKey is ZTDAFQNVZYUCQD-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-5-13-14-10-26-18(21(14)25-17-7-8-19(27)12(3)20(13)17)9-16-15(22(26)28)11-31-23(29)24(16,6-2)30-4/h7-9,27H,5-6,10-11H2,1-4H3/t24-/m0/s1.
What are the key properties of (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
(19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione has a molecular weight of 420.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-10,19-diethyl-7-hydroxy-19-methoxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 142109262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).